SCHEMBL4675459

SCHEMBL4675459

COc1cc(N2CCNCC2)c2c(c1)N(Cc1ccccc1F)C(=O)CO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.54
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4674574 0.99 HTR6 (0.53) HTR6HTR1ASLC6A2SLC6A4L3MBTL1
SCHEMBL3321841 0.89 HTR6 (0.57) HTR6HTR1ASLC6A2SLC6A4ALDH1A1
SCHEMBL4675219 0.89 HTR6 (0.55) HTR6HTR1AL3MBTL1
Hydrochloric Acid SCHEMBL4675510 0.88 HTR6 (0.56) HTR6HTR1ASLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL5857935 0.88 HTR6 (0.54) HTR6HTR1AL3MBTL1
SCHEMBL4674304 0.86 HTR6 (0.71) HTR6HTR1AL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL4678995 0.85 HTR6 (0.70) HTR6HTR1AL3MBTL1KMT2A
SCHEMBL4676125 0.85 HTR6 (0.72) HTR6HTR1ASLC6A2SLC6A4ALDH1A1
SCHEMBL4675239 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL4675355 0.84 HTR6 (0.71) HTR6HTR1ASLC6A2SLC6A4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US claimed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885HTR1A 986/4885SLC6A2 1942/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.